SCHEMBL9312642

SCHEMBL9312642

C=CC(=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C1(c2ccc(N(CC)CC)cc2)OC(=O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
TDP1 Q9NUW8 4/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 5/20 0.34
GAA P10253 4/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 9/20 0.34
KMT2A Q03164 9/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
UTS2R Q9UKP6 3/20 0.33
CNR2 P34972 1/20 0.32
THRB P10828 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9314699 0.89 ALDH1A1 (0.42) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9313606 0.89 ALDH1A1 (0.42) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9313090 0.86 ALDH1A1 (0.42) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9313962 0.85 ALDH1A1 (0.41) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9314735 0.82 ALDH1A1 (0.49) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9313965 0.79 ALDH1A1 (0.45) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9312528 0.79 ALDH1A1 (0.49) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9313095 0.78 ALDH1A1 (0.46) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9313241 0.78 CYP3A4 (0.47) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL9312454 0.78 CYP3A4 (0.47) ALDH1A1TDP1HPGDCYP3A4HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286702-A Color coupler for infrared recording YAMADA CHEMICAL CO., LTD. (JP) 1994-02-15 US disclosed